Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
showCS.tcl: Display and Analyze Observed vs Predicted Chemical Shifts in an NMRPipe-Format Table.

Flag Argument Default Description
 -in csInName csCalc.tab CS Input Table.
 -sd s 3.0 Outlier Standard Deviation Count.
 -graph Draw CS Graphs (Default).
 -nograph No CS Graphs, Print Statistics Only.
 -nohms Ignore Ring Current HM_SHIFT Values.
 -single Single Class Only.
 -verb Verbose Mode: Print Outlier List.
Comparison of Two Shift Tables:
 -ref csRefName None Optional CS Reference Table.
 -off offset 0 ResID Offset for Reference.
Notes:
  CS Input must have both CS_OBS and SHIFT values.